2-(butylsulfonylamino)-3-(4-nitrophenyl)propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-(4-nitrophenyl)propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-(4-nitrophenyl)propanoic acid CAS Name: 2-(butylsulfonylamino)-3-(4-nitrophenyl)propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-(4-nitrophenyl)propionic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H18N2O6S/c1-2-3-8-22(20,21)14-12(13(16)17)9-10-4-6-11(7-5-10)15(18)19/h4-7,12,14H,2-3,8-9H2,1H3,(H,16,17)